N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide

C24H25N3O3 — CID 171686778

IUPACN-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1cccc(-c2ccccc2NC(=O)C2CCN(C(=O)c3ccc[nH]3)CC2)c1
InChIInChI=1S/C24H25N3O3/c1-30-19-7-4-6-18(16-19)20-8-2-3-9-21(20)26-23(28)17-11-14-27(15-12-17)24(29)22-10-5-13-25-22/h2-10,13,16-17,25H,11-12,14-15H2,1H3,(H,26,28)
InChIKeyZXSWDILMTRUZEO-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.18
Rot. Bonds5

About N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide

N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide (PubChem CID 171686778) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
PubChem CID171686778
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1cccc(-c2ccccc2NC(=O)C2CCN(C(=O)c3ccc[nH]3)CC2)c1
InChIInChI=1S/C24H25N3O3/c1-30-19-7-4-6-18(16-19)20-8-2-3-9-21(20)26-23(28)17-11-14-27(15-12-17)24(29)22-10-5-13-25-22/h2-10,13,16-17,25H,11-12,14-15H2,1H3,(H,26,28)
InChIKeyZXSWDILMTRUZEO-UHFFFAOYSA-N
XLogP4.18
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
CID 171330847
1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 171687153
N-[2-(3-methoxyphenyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 72929287
N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide
CID 126461711
N-(2-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007109
N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 1245576
N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide
CID 72853141
(3R)-3-amino-N-[2-(3-methoxyphenyl)phenyl]piperidine-1-carboxamide
CID 125164364
1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007631
N-(2-ethoxyphenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007539
1-(2-fluorobenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17019052
N-[2-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 42460267

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide (CID 171686778) is N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide is COc1cccc(-c2ccccc2NC(=O)C2CCN(C(=O)c3ccc[nH]3)CC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is ZXSWDILMTRUZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-30-19-7-4-6-18(16-19)20-8-2-3-9-21(20)26-23(28)17-11-14-27(15-12-17)24(29)22-10-5-13-25-22/h2-10,13,16-17,25H,11-12,14-15H2,1H3,(H,26,28).
What are the key properties of N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide?
N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 171686778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).